2-[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]sulfanylpentanoic acid

Systemtic Name: 2-[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]sulfanylpentanoic acid Openeye Name: 2-[4-(dimethylamino)-3,5-diisopropyl-phenyl]sulfanylpentanoic acid CAS Name: 2-[[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]thio]pentanoic acid IUPAC Name: 2-[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[4-(dimethylamino)-3,5-diisopropyl-phenyl]thio]valeric acid Formula: C19H31NO2S MolecularWeight: 337.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=CC(=C(C(=C1)C(C)C)N(C)C)C(C)C

Isomeric SMILES

CCCC(C(=O)O)SC1=CC(=C(C(=C1)C(C)C)N(C)C)C(C)C

InChI

InChI=1S/C19H31NO2S/c1-8-9-17(19(21)22)23-14-10-15(12(2)3)18(20(6)7)16(11-14)13(4)5/h10-13,17H,8-9H2,1-7H3,(H,21,22)